3I98
X-ray crystallographic structure of Inorganic Pyrophosphatase at 298K from archaeon Thermococcus thioreducens
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006796 | biological_process | phosphate-containing compound metabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006796 | biological_process | phosphate-containing compound metabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006796 | biological_process | phosphate-containing compound metabolic process |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0006796 | biological_process | phosphate-containing compound metabolic process |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0000287 | molecular_function | magnesium ion binding |
| E | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0006796 | biological_process | phosphate-containing compound metabolic process |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0000287 | molecular_function | magnesium ion binding |
| F | 0004427 | molecular_function | inorganic diphosphate phosphatase activity |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0006796 | biological_process | phosphate-containing compound metabolic process |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MRD A 620 |
| Chain | Residue |
| A | TYR115 |
| A | TYR115 |
| A | HOH555 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA A 627 |
| Chain | Residue |
| A | ASP66 |
| A | ASP71 |
| A | ASP103 |
| A | HOH193 |
| A | HOH207 |
| A | HOH274 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA B 622 |
| Chain | Residue |
| B | ASP66 |
| B | ASP71 |
| B | ASP103 |
| B | HOH187 |
| B | HOH216 |
| B | HOH629 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MPD C 619 |
| Chain | Residue |
| C | TYR115 |
| C | HOH217 |
| C | HOH489 |
| E | TYR115 |
| E | HOH445 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA C 623 |
| Chain | Residue |
| C | ASP66 |
| C | ASP71 |
| C | ASP103 |
| C | HOH196 |
| C | HOH243 |
| C | HOH400 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 624 |
| Chain | Residue |
| D | ASP66 |
| D | ASP71 |
| D | ASP103 |
| D | HOH205 |
| D | HOH226 |
| D | HOH562 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACE E 621 |
| Chain | Residue |
| E | LYS127 |
| E | ALA128 |
| E | ASP131 |
| E | HOH387 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA E 625 |
| Chain | Residue |
| E | ASP66 |
| E | ASP71 |
| E | ASP103 |
| E | HOH196 |
| E | HOH312 |
| E | HOH388 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA F 626 |
| Chain | Residue |
| F | ASP66 |
| F | ASP71 |
| F | ASP103 |
| F | HOH199 |
| F | HOH229 |
| F | HOH304 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MRD F 639 |
| Chain | Residue |
| D | TYR115 |
| D | HOH334 |
| D | HOH440 |
| F | TYR115 |
| F | PHE116 |
| F | HOH441 |
| F | HOH442 |
Functional Information from PROSITE/UniProt
| site_id | PS00387 |
| Number of Residues | 7 |
| Details | PPASE Inorganic pyrophosphatase signature. DGDPFDI |
| Chain | Residue | Details |
| A | ASP66-ILE72 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1wgi |
| Chain | Residue | Details |
| A | ASP68 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1wgi |
| Chain | Residue | Details |
| B | ASP68 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1wgi |
| Chain | Residue | Details |
| C | ASP68 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1wgi |
| Chain | Residue | Details |
| D | ASP68 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1wgi |
| Chain | Residue | Details |
| E | ASP68 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1wgi |
| Chain | Residue | Details |
| F | ASP68 |
